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Vitas-M small molecule compound

2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol

Catalog ID
STK611402
SMILES Cc1ccc(s1)/C=C/c1nc(O)c(c(n1)O)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C11H9N3O4S MW 279.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N3O4S/c1-6-2-3-7(19-6)4-5-8-12-10(15)9(14(17)18)11(16)13-8/h2-5H,1H3,(H2,12,13,15,16)/b5-4+
InChIKey
IMWGDILRENNQCI-SNAWJCMRSA-N
Synonyms
842956-34-7
2((E)2(5methylthiophen2yl)ethenyl)5nitropyrimidine46diol
4HYDROXY2((E)2(5METHYLTHIOPHEN2YL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
842956347
CC1=CC=C(S1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
Cc1ccc(s1)C=Cc1nc(O)c(c(n1)O)(N+)(=O)(O)
InChI=1SC11H9N3O4Sc16237(196)4581210(15)9(14(17)18)11(16)138h25H1H3(H212131516)b54+
MFCD08732362
ZINC000013607997
ZINC13607997

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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